1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide

C19H20ClN5O2 — CID 176828923

IUPAC1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide
SMILESCC(C)(C)c1cccc(Cl)c1COc1cnc(-n2ccc(C(N)=O)n2)nc1
InChIInChI=1S/C19H20ClN5O2/c1-19(2,3)14-5-4-6-15(20)13(14)11-27-12-9-22-18(23-10-12)25-8-7-16(24-25)17(21)26/h4-10H,11H2,1-3H3,(H2,21,26)
InChIKeyIYGHTCSYOUZOCY-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.29
Rot. Bonds5

About 1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide

1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide (PubChem CID 176828923) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide
PubChem CID176828923
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide
SMILESCC(C)(C)c1cccc(Cl)c1COc1cnc(-n2ccc(C(N)=O)n2)nc1
InChIInChI=1S/C19H20ClN5O2/c1-19(2,3)14-5-4-6-15(20)13(14)11-27-12-9-22-18(23-10-12)25-8-7-16(24-25)17(21)26/h4-10H,11H2,1-3H3,(H2,21,26)
InChIKeyIYGHTCSYOUZOCY-UHFFFAOYSA-N
XLogP3.29
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide (CID 176828923) is 1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide is CC(C)(C)c1cccc(Cl)c1COc1cnc(-n2ccc(C(N)=O)n2)nc1.
What is the InChIKey of 1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide?
The InChIKey is IYGHTCSYOUZOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-19(2,3)14-5-4-6-15(20)13(14)11-27-12-9-22-18(23-10-12)25-8-7-16(24-25)17(21)26/h4-10H,11H2,1-3H3,(H2,21,26).
What are the key properties of 1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide?
1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide has a molecular weight of 385.86 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 176828923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).